SpectraBase Spectrum ID |
Gn6LIFayfOh |
Name |
4-(2-Chlorophenyl)-5-ethanoyl-6-methyl-3,4-dihydro-1H-pyridin-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
263.071306393 u |
Formula |
C14H14ClNO2 |
InChI |
InChI=1S/C14H14ClNO2/c1-8-14(9(2)17)11(7-13(18)16-8)10-5-3-4-6-12(10)15/h3-6,11H,7H2,1-2H3,(H,16,18) |
InChIKey |
CYEJCMAAAMMALG-UHFFFAOYSA-N |
SMILES |
C1(=C(NC(CC1C=1C(Cl)=CC=CC1)=O)C)C(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977303 |